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GPCR

NameSphingosine 1-phosphate receptor 1
SpeciesHomo sapiens (Human)
GeneS1PR1
SynonymSphingosine 1-phosphate receptor Edg-1
S1P1 receptor
S1P1
S1P receptor Edg-1
S1P receptor 1
[ Show all ]
DiseaseImmune disorder
Macular degeneration
Hepatocellular carcinoma; Multiple scierosis
Multiple scierosis
Primary progressive multiple sclerosis
[ Show all ]
Length382
Amino acid sequenceMGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
UniProtP21453
Protein Data Bank3v2w
GPCR-HGmod modelP21453
3D structure modelThis structure is from PDB ID 3v2w.
BioLiPBL0214678
Therapeutic Target DatabaseT13852
ChEMBLCHEMBL4333
IUPHAR275
DrugBankN/A

Ligand

NameMLS000057790
Molecular formulaC18H13N3O3
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
Molecular weight319.32
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsHMS1764A06
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-6-amine
AC1MHAJK
benzofuro[3,2-d]pyrimidin-4-yl(piperonyl)amine
STL059546
[ Show all ]
Inchi KeyACBAKVVEGJKNPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13N3O3/c1-2-4-13-12(3-1)16-17(24-13)18(21-9-20-16)19-8-11-5-6-14-15(7-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,20,21)
PubChem CID2998880
ChEMBLCHEMBL1491068
IUPHARN/A
BindingDB36996
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC505605.0 nMN/ABindingDB
EC506464.0 nMN/ABindingDB
EC5038900.0 nMN/ABindingDB

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